REMARK Name = BDB023485 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.240 0.095 1.142 0.00 0.00 +0.192 C ATOM 2 N LIG 1 -2.200 1.351 0.387 0.00 0.00 -0.256 N ATOM 3 C LIG 1 -1.093 1.467 -0.423 0.00 0.00 +0.250 C ATOM 4 O LIG 1 -0.775 2.398 -1.138 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 -0.348 0.214 -0.312 0.00 0.00 +0.045 A ATOM 6 C LIG 1 0.804 -0.158 -0.987 0.00 0.00 +0.020 A ATOM 7 C LIG 1 1.313 -1.449 -0.780 0.00 0.00 -0.014 A ATOM 8 C LIG 1 0.622 -2.307 0.117 0.00 0.00 +0.007 A ATOM 9 C LIG 1 -0.544 -1.906 0.784 0.00 0.00 +0.009 A ATOM 10 C LIG 1 -1.020 -0.620 0.576 0.00 0.00 +0.019 A ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 -3.563 -0.647 0.896 0.00 0.00 +0.007 A ATOM 12 C LIG 1 -3.822 -1.285 -0.336 0.00 0.00 +0.010 A ATOM 13 C LIG 1 -5.046 -1.916 -0.581 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -6.035 -1.911 0.397 0.00 0.00 +0.041 A ATOM 15 CL LIG 1 -7.547 -2.672 0.089 0.00 0.00 -0.084 Cl ATOM 16 C LIG 1 -5.813 -1.280 1.616 0.00 0.00 +0.020 A ATOM 17 C LIG 1 -4.590 -0.647 1.860 0.00 0.00 +0.010 A ENDBRANCH 1 11 BRANCH 1 19 ATOM 18 C LIG 1 -1.635 -0.500 3.424 0.00 0.00 +0.197 C ATOM 19 O LIG 1 -2.057 0.493 2.506 0.00 0.00 -0.351 OA ENDBRANCH 1 19 BRANCH 7 20 ATOM 20 C LIG 1 2.603 -1.935 -1.457 0.00 0.00 +0.101 C ATOM 21 C LIG 1 2.891 -1.261 -2.807 0.00 0.00 +0.048 C BRANCH 20 22 ATOM 22 O LIG 1 2.432 -3.333 -1.775 0.00 0.00 -0.383 OA ATOM 23 H LIG 1 1.585 -3.410 -2.249 0.00 0.00 +0.211 HD ENDBRANCH 20 22 BRANCH 20 24 ATOM 24 C LIG 1 3.814 -1.835 -0.471 0.00 0.00 +0.123 C BRANCH 24 25 ATOM 25 N LIG 1 4.193 -0.468 -0.065 0.00 0.00 -0.297 NA ATOM 26 C LIG 1 4.587 -0.427 1.359 0.00 0.00 +0.100 C ATOM 27 C LIG 1 5.322 0.882 1.714 0.00 0.00 +0.099 C ATOM 28 N LIG 1 6.626 1.004 1.030 0.00 0.00 -0.303 NA ATOM 29 C LIG 1 6.992 2.409 0.878 0.00 0.00 +0.105 C ATOM 30 C LIG 1 6.626 0.291 -0.261 0.00 0.00 +0.099 C ATOM 31 C LIG 1 5.236 0.134 -0.923 0.00 0.00 +0.100 C ENDBRANCH 24 25 ENDBRANCH 20 24 ENDBRANCH 7 20 BRANCH 2 32 ATOM 32 C LIG 1 -3.142 2.440 0.599 0.00 0.00 +0.166 C BRANCH 32 33 ATOM 33 C LIG 1 -4.387 2.333 -0.258 0.00 0.00 +0.059 A ATOM 34 N LIG 1 -5.577 2.196 0.385 0.00 0.00 -0.257 NA ATOM 35 C LIG 1 -6.685 2.050 -0.383 0.00 0.00 +0.131 A ATOM 36 C LIG 1 -6.669 2.048 -1.768 0.00 0.00 +0.059 A ATOM 37 CL LIG 1 -8.117 1.849 -2.667 0.00 0.00 -0.082 Cl ATOM 38 C LIG 1 -5.451 2.212 -2.413 0.00 0.00 +0.023 A ATOM 39 C LIG 1 -4.293 2.359 -1.651 0.00 0.00 +0.026 A ENDBRANCH 32 33 ENDBRANCH 2 32 TORSDOF 8